Information card for entry 1548884

Structure parameters

• Formula: C46 H48 F6 Fe2 K2 N4 O19 S2
• Calculated formula: C46 H48 F6 Fe2 K2 N4 O19 S2
• Title of publication: Incorporation of redox-inactive cations promotes iron catalyzed aerobic C-H oxidation at mild potentials.
• Authors of publication: Chantarojsiri, Teera; Ziller, Joseph W.; Yang, Jenny Y.
• Journal of publication: Chemical science
• Year of publication: 2018
• Journal volume: 9
• Journal issue: 9
• Pages of publication: 2567 - 2574
• a: 32.941 ± 0.002 Å
• b: 8.2524 ± 0.0006 Å
• c: 21.7664 ± 0.0015 Å
• α: 90°
• β: 108.302 ± 0.0008°
• γ: 90°
• Cell volume: 5617.7 ± 0.7 ų
• Cell temperature: 88 ± 2 K
• Ambient diffraction temperature: 88 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.099
• Residual factor for significantly intense reflections: 0.0931
• Weighted residual factors for significantly intense reflections: 0.2677
• Weighted residual factors for all reflections included in the refinement: 0.274
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No